Cas no 132118-52-6 (7-Bromo-2-chloro-3-ethylquinoline)

7-Bromo-2-chloro-3-ethylquinoline is a halogenated quinoline derivative with a molecular formula of C??H?BrClN. This compound is characterized by its bromo and chloro substituents at the 7- and 2-positions, respectively, along with an ethyl group at the 3-position, which enhance its reactivity and utility in synthetic chemistry. It serves as a versatile intermediate in pharmaceutical and agrochemical research, particularly in the development of heterocyclic compounds. The presence of multiple halogen atoms allows for selective functionalization, making it valuable for cross-coupling reactions and further derivatization. Its well-defined structure and high purity ensure consistency in experimental and industrial applications.
7-Bromo-2-chloro-3-ethylquinoline structure
132118-52-6 structure
Product Name:7-Bromo-2-chloro-3-ethylquinoline
CAS No:132118-52-6
MF:C11H9BrClN
MW:270.552860975266
MDL:MFCD09997963
CID:64169
PubChem ID:329773595
Update Time:2025-06-13

7-Bromo-2-chloro-3-ethylquinoline Chemical and Physical Properties

Names and Identifiers

    • 7-Bromo-2-chloro-3-ethylquinoline
    • 7-bromo-2-chloro-3-ethylquiline
    • Quinoline, 7-bromo-2-chloro-3-ethyl-
    • F87070
    • A888332
    • AKOS015911778
    • 132118-52-6
    • 7-Bromo-2-chloro-3-ethylquinoline, AldrichCPR
    • SB69033
    • SCHEMBL379382
    • FT-0602208
    • DTXSID80653639
    • MDL: MFCD09997963
    • Inchi: 1S/C11H9BrClN/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3
    • InChI Key: SNQLRYSTCVHESD-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2C(C=1)=NC(=C(C=2)CC)Cl

Computed Properties

  • Exact Mass: 268.96100
  • Monoisotopic Mass: 268.96069g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.6
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.522
  • Boiling Point: 345.5°C at 760 mmHg
  • Flash Point: 162.8°C
  • Refractive Index: 1.643
  • PSA: 12.89000
  • LogP: 4.21310

7-Bromo-2-chloro-3-ethylquinoline Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H318-H413
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xn

7-Bromo-2-chloro-3-ethylquinoline Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

7-Bromo-2-chloro-3-ethylquinoline Pricemore >>

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Additional information on 7-Bromo-2-chloro-3-ethylquinoline

Comprehensive Overview of 7-Bromo-2-chloro-3-ethylquinoline (CAS No. 132118-52-6)

7-Bromo-2-chloro-3-ethylquinoline (CAS No. 132118-52-6) is a halogenated quinoline derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the quinoline family, a class of heterocyclic aromatic compounds known for their diverse biological activities. The presence of bromo and chloro substituents at the 7th and 2nd positions, respectively, along with an ethyl group at the 3rd position, imparts unique chemical properties to this molecule. Researchers are increasingly exploring its potential applications in drug discovery, material science, and catalysis.

One of the key reasons for the growing interest in 7-Bromo-2-chloro-3-ethylquinoline is its structural versatility. The quinoline core is a privileged scaffold in medicinal chemistry, often found in compounds with antimicrobial, anticancer, and anti-inflammatory properties. The halogen atoms (bromo and chloro) enhance the molecule's reactivity, making it a valuable intermediate in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are pivotal in the synthesis of complex organic molecules, including APIs (Active Pharmaceutical Ingredients).

In recent years, the demand for halogenated quinolines has surged due to their role in developing novel therapeutics. For instance, 7-Bromo-2-chloro-3-ethylquinoline has been investigated as a precursor in the synthesis of kinase inhibitors, which are critical in targeted cancer therapies. Kinase inhibitors are a hot topic in biomedical research, with many users searching for "quinoline-based kinase inhibitors" or "halogenated quinoline synthesis." This compound's ethyl side chain also contributes to improved lipophilicity, a desirable trait for drug candidates aiming to enhance bioavailability.

Another area where 7-Bromo-2-chloro-3-ethylquinoline shows promise is in agrochemical applications. Quinolines are known to exhibit herbicidal and fungicidal activities, and the introduction of halogen atoms can amplify these effects. Farmers and agrochemical researchers often search for "efficient quinoline-based pesticides" or "halogenated quinoline derivatives in agriculture." The compound's potential to serve as a building block for environmentally friendly pesticides aligns with the global push for sustainable farming practices.

From a synthetic chemistry perspective, CAS No. 132118-52-6 is a valuable intermediate. Its bromo and chloro groups act as excellent leaving groups, facilitating nucleophilic substitution reactions. This property is particularly useful in modular synthesis, where researchers aim to construct complex molecules step-by-step. Searches like "quinoline halogenation techniques" or "ethylquinoline derivatives synthesis" reflect the compound's relevance in modern organic chemistry.

Environmental and regulatory considerations are also driving interest in 7-Bromo-2-chloro-3-ethylquinoline. With increasing scrutiny on chemical safety, researchers are exploring greener synthetic routes for halogenated compounds. Terms like "sustainable quinoline synthesis" or "eco-friendly halogenated intermediates" are trending in academic and industrial circles. This compound's potential to be synthesized via catalytic methods, reducing waste and energy consumption, makes it a candidate for green chemistry initiatives.

In material science, 7-Bromo-2-chloro-3-ethylquinoline has been studied for its photophysical properties. Quinolines are known to exhibit fluorescence, and halogenation can tune these properties for applications in OLEDs (Organic Light-Emitting Diodes) or sensors. Queries such as "quinoline-based OLED materials" or "halogenated quinoline luminescence" highlight the intersection of this compound with cutting-edge technology.

To summarize, 7-Bromo-2-chloro-3-ethylquinoline (CAS No. 132118-52-6) is a multifaceted compound with applications spanning pharmaceuticals, agrochemicals, and materials science. Its unique structure, featuring bromo, chloro, and ethyl substituents, offers chemists a versatile tool for innovation. As research continues to uncover its potential, this compound is poised to remain a focal point in scientific and industrial advancements.

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